Structure of PDB 4etp Chain A Binding Site BS01

Receptor Information
>4etp Chain A (length=379) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAALKEKIAALKEKIAALKEKIKDTELGMKELNEILIKEETVRRTLHNEL
QELRGNIRVYLRIRPALKNLENSDTSLINVNEFDDNSGVQSMEVTKIQNT
AQVHEFKFDKIFDQQDTNVDVFKEVGQLVQSSLDGYNVAIFAYGQTGSGK
TFTMLNPGDGIIPSTISHIFNWINKLKTKGWDYKVNAEFIEIYNENIVDL
LRSSIGLKHEIRHDQETKTTTITNVTSVKLESEEMVEIILKKANRTASNE
HSSRSHSIFIIHLSGSNAKTGAHSYGTLNLVDLAGSERINVSQVVGDRLR
ETQNINKSLSALGDVIHALGQPDSTKRHIPFRNSKLTYLLQYSLTGDSKT
LMFVNISPSSSHINETLNSLRFASKVNST
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4etp Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4etp Kar3Vik1, a member of the kinesin-14 superfamily, shows a novel kinesin microtubule binding pattern.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R392 R394 P395 T476 G477 G479 K480 T481 F482
Binding residue
(residue number reindexed from 1)		R62 R64 P65 T146 G147 G149 K150 T151 F152
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.1.4: minus-end-directed kinesin ATPase.
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
Biological Process
GO:0007018 microtubule-based movement

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4etp, PDBe:4etp, PDBj:4etp
PDBsum4etp
PubMed22734002
UniProtP17119|KAR3_YEAST Kinesin-like protein KAR3 (Gene Name=KAR3)

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